6533b823fe1ef96bd127ecf7
RESEARCH PRODUCT
Global fixed point proof of time-dependent density-functional theory
R. Van LeeuwenMichael Ruggenthalersubject
Pure mathematicsCondensed Matter - Materials ScienceQuantum PhysicsAtomic Physics (physics.atom-ph)Materials Science (cond-mat.mtrl-sci)FOS: Physical sciencesGeneral Physics and AstronomyExistence theorem02 engineering and technologyFunction (mathematics)Fixed point021001 nanoscience & nanotechnologyMathematical proof01 natural sciencesUpper and lower boundsPhysics - Atomic PhysicsUniqueness theorem for Poisson's equationBounded function0103 physical sciencesUniquenessQuantum Physics (quant-ph)010306 general physics0210 nano-technologyMathematicsdescription
We reformulate and generalize the uniqueness and existence proofs of time-dependent density-functional theory. The central idea is to restate the fundamental one-to-one correspondence between densities and potentials as a global fixed point question for potentials on a given time-interval. We show that the unique fixed point, i.e. the unique potential generating a given density, is reached as the limiting point of an iterative procedure. The one-to-one correspondence between densities and potentials is a straightforward result provided that the response function of the divergence of the internal forces is bounded. The existence, i.e. the v-representability of a density, can be proven as well provided that the operator norms of the response functions of the members of the iterative sequence of potentials have an upper bound. The densities under consideration have second time-derivatives that are required to satisfy a condition slightly weaker than being square-integrable. This approach avoids the usual restrictions of Taylor-expandability in time of the uniqueness theorem by Runge and Gross [Phys.Rev.Lett.52, 997 (1984)] and of the existence theorem by van Leeuwen [Phys.Rev.Lett. 82, 3863 (1999)]. Owing to its generality, the proof not only answers basic questions in density-functional theory but also has potential implications in other fields of physics.
year | journal | country | edition | language |
---|---|---|---|---|
2011-06-15 |